2-[(3-methylphenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(m-tolylmethylsulfanyl)acetamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N3O3S2/c1-17-4-3-5-18(14-17)15-28-16-21(25)22-19-6-8-20(9-7-19)29(26,27)24-12-10-23(2)11-13-24/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1